1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea

C21H14N4O2 — CID 2805877

IUPAC1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
SMILESN#Cc1cccc(C#N)c1Oc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H14N4O2/c22-13-15-5-4-6-16(14-23)20(15)27-19-11-9-18(10-12-19)25-21(26)24-17-7-2-1-3-8-17/h1-12H,(H2,24,25,26)
InChIKeyFJMLXEAJWZRSEN-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.87
Rot. Bonds4

About 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea

1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea (PubChem CID 2805877) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
PubChem CID2805877
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
SMILESN#Cc1cccc(C#N)c1Oc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H14N4O2/c22-13-15-5-4-6-16(14-23)20(15)27-19-11-9-18(10-12-19)25-21(26)24-17-7-2-1-3-8-17/h1-12H,(H2,24,25,26)
InChIKeyFJMLXEAJWZRSEN-UHFFFAOYSA-N
XLogP4.87
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
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1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
3-(2,6-dicyanophenoxy)benzamide
CID 86818071
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
4-(2-cyano-6-methylphenoxy)benzamide
CID 107107475
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
(Z)-2-cyano-3-(4-phenoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849606
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea (CID 2805877) is 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea is N#Cc1cccc(C#N)c1Oc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea?
The InChIKey is FJMLXEAJWZRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c22-13-15-5-4-6-16(14-23)20(15)27-19-11-9-18(10-12-19)25-21(26)24-17-7-2-1-3-8-17/h1-12H,(H2,24,25,26).
What are the key properties of 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea?
1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea has a molecular weight of 354.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 2805877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).